3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C16H26FN3 — CID 106532442

IUPAC3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CN(C)c2cc(F)cc(CCN)c2)CC1
InChIInChI=1S/C16H26FN3/c1-19-7-4-13(5-8-19)12-20(2)16-10-14(3-6-18)9-15(17)11-16/h9-11,13H,3-8,12,18H2,1-2H3
InChIKeyNNRQSSAWDAMYST-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.10
Rot. Bonds5

About 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 106532442) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID106532442
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CN(C)c2cc(F)cc(CCN)c2)CC1
InChIInChI=1S/C16H26FN3/c1-19-7-4-13(5-8-19)12-20(2)16-10-14(3-6-18)9-15(17)11-16/h9-11,13H,3-8,12,18H2,1-2H3
InChIKeyNNRQSSAWDAMYST-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitroaniline
CID 80748341
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63783626
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80634857
2-fluoro-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzonitrile
CID 103758489
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 106532442) is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(CN(C)c2cc(F)cc(CCN)c2)CC1.
What is the InChIKey of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is NNRQSSAWDAMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-19-7-4-13(5-8-19)12-20(2)16-10-14(3-6-18)9-15(17)11-16/h9-11,13H,3-8,12,18H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 279.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 106532442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).